1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea

C14H11BrClFN2O2 — CID 156854541

IUPAC1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1cc(F)cc(Br)c1)Nc1cccc(Cl)c1CO
InChIInChI=1S/C14H11BrClFN2O2/c15-8-4-9(17)6-10(5-8)18-14(21)19-13-3-1-2-12(16)11(13)7-20/h1-6,20H,7H2,(H2,18,19,21)
InChIKeyULKQMBMYKUPTSI-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.38
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea

1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea (PubChem CID 156854541) has the molecular formula C14H11BrClFN2O2 and a molecular weight of 373.61 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea
PubChem CID156854541
Molecular FormulaC14H11BrClFN2O2
Molecular Weight373.61 g/mol
Exact Mass371.97
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1cc(F)cc(Br)c1)Nc1cccc(Cl)c1CO
InChIInChI=1S/C14H11BrClFN2O2/c15-8-4-9(17)6-10(5-8)18-14(21)19-13-3-1-2-12(16)11(13)7-20/h1-6,20H,7H2,(H2,18,19,21)
InChIKeyULKQMBMYKUPTSI-UHFFFAOYSA-N
XLogP4.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea
CID 156854573
1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea
CID 156854357
1-(2-bromo-4-pyridinyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea
CID 156854356
1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea
CID 156854728
1-[3-bromo-2-(hydroxymethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 156854434
1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea
CID 166747587
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea
CID 156854733
1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea
CID 166747549
1-[3-bromo-2-(hydroxymethyl)phenyl]-3-[3-chloro-5-(trifluoromethoxy)phenyl]urea
CID 166747576
1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea
CID 71013470
1-(2,6-dichloro-4-pyridinyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea
CID 156854528

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea (CID 156854541) is 1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea is O=C(Nc1cc(F)cc(Br)c1)Nc1cccc(Cl)c1CO.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea?
The InChIKey is ULKQMBMYKUPTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O2/c15-8-4-9(17)6-10(5-8)18-14(21)19-13-3-1-2-12(16)11(13)7-20/h1-6,20H,7H2,(H2,18,19,21).
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea?
1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea has a molecular weight of 373.61 g/mol, XLogP of 4.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea is sourced from PubChem (CID 156854541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).